SCHEMBL6316618

SCHEMBL6316618

Nc1onc(-c2ccc(-c3cccc(Cl)c3)o2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.46
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6317377 0.94 LMNA (0.48) RAB9AALDH1A1LMNAGAANPSR1
SCHEMBL6317733 0.93 RAB9A (0.45) RAB9AALDH1A1POLBLMNA
SCHEMBL6318314 0.92 TACR1 (0.45) TACR1ALDH1A1POLBGAAHPGD
SCHEMBL6324730 0.90 HPGD (0.46) RAB9AALDH1A1POLBLMNAGAA
SCHEMBL6316611 0.88 RAB9A (0.48) RAB9AALDH1A1POLBLMNAGAA
SCHEMBL6317335 0.87 MLYCD (0.46) ALDH1A1POLBLMNAGAAHPGD
SCHEMBL6324233 0.86 CA1 (0.50) TACR1P2RX1TMPRSS4POLBLMNA
SCHEMBL6318549 0.86 RAB9A (0.46) RAB9AALDH1A1POLBGAA
SCHEMBL6316606 0.85 HTR2C (0.44) RAB9AALDH1A1POLBLMNANPSR1
SCHEMBL6316372 0.85 NTRK1 (0.44) RAB9AALDH1A1POLBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TACR1 4879/4885P2RX1 1995/4885TMPRSS4 2934/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.